CID 16414215

1032759-30-0

Structural Information

Molecular Formula
C12H20BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)N(C)C
InChI
InChI=1S/C12H20BN3O2/c1-11(2)12(3,4)18-13(17-11)9-7-14-10(15-8-9)16(5)6/h7-8H,1-6H3
InChIKey
RMPRVJCNMPFBCX-UHFFFAOYSA-N
Compound name
N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

306
Patents

249.16486 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.17214 152.5
[M+Na]+ 272.15408 161.7
[M-H]- 248.15758 159.9
[M+NH4]+ 267.19868 171.1
[M+K]+ 288.12802 163.3
[M+H-H2O]+ 232.16212 145.8
[M+HCOO]- 294.16306 172.8
[M+CH3COO]- 308.17871 199.6
[M+Na-2H]- 270.13953 158.5
[M]+ 249.16431 156.8
[M]- 249.16541 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe